Benzamide, N-(1-(antipyrinylcarbamoyl)pentyl)-
Basic information
- CAS
81217-00-7- Standard SMILES
CCCCC(NC(=O)c1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
KDSXVPRRXNBCTH-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21614077
Names & identifiers
- Preferred name
- Benzamide, N-(1-(antipyrinylcarbamoyl)pentyl)-
- IUPAC
- N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxohexan-2-yl]benzamide
- English name
- BENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)PENTYL)-
- Molecular weight
- 0
Names & synonyms
81217-00-7BRN 5174152N-(1-(Antipyrinylcarbamoyl)pentyl)benzamideBENZAMIDE, N-(1-(ANTIPYRINYLCARBAMOYL)PENTYL)-RefChem:322116benzamide,n-(1-(antipyrinylcarbamoyl)pentyl)-DTXSID601001853N-{1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1-hydroxyhexan-2-yl}benzenecarboximidic acid
Database identifiers
- CAS
81217-00-7- PubChem CID
- 54708
- DTXSID
DTXSID601001853- Nikkaji
- J522.585J、J68.052D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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